ethyl 2-(4-amino-2-fluorophenyl)acetate

• ChemBase ID: 290999
• Molecular Formular: C10H12FNO2
• Molecular Mass: 197.2061832
• Monoisotopic Mass: 197.08520685
• SMILES: O=C(OCC)Cc1ccc(N)cc1F
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1F)N
• InChI: InChI=1S/C10H12FNO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5,12H2,1H3
• InChIKey: CKHZQBGGRYVXEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-amino-2-fluorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-amino-2-fluorophenyl)acetate
• Synonyms: Ethyl 2-(4-amino-2-fluorophenyl)acetate

Database IDs

• CAS Number: 73781-63-2
• PubChem SID: 180676530
• PubChem CID: 15840528

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4253101
• LogD (pH = 7.4): 1.4274448
• Log P: 1.4274721
• Molar Refractivity: 51.8001 cm^3
• Polarizability: 19.30259 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%